(2-bromanyl-4,5-dimethoxy-phenyl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C17H17BrO5S MolecularWeight: 413.28288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)CCC(=O)C2=CC=CS2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)CCC(=O)C2=CC=CS2)Br)OC

InChI

InChI=1S/C17H17BrO5S/c1-21-14-8-11(12(18)9-15(14)22-2)10-23-17(20)6-5-13(19)16-4-3-7-24-16/h3-4,7-9H,5-6,10H2,1-2H3